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1evy

CRYSTAL STRUCTURE OF LEISHMANIA MEXICANA GLYCEROL-3-PHOSPHATE DEHYDROGENASE

Method: X-RAY DIFFRACTION D_max: 68.3 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1evy
deposition_date	2000-04-20
title	CRYSTAL STRUCTURE OF LEISHMANIA MEXICANA GLYCEROL-3-PHOSPHATE DEHYDROGENASE
keywords	Dehydrogenase, Rossmann fold, OXIDOREDUCTASE; OXIDOREDUCTASE
method	X-RAY DIFFRACTION

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Download Data

SAXS curve (.dat) P(r) distribution (.pr.out) Structure (CIF)

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2. SAXS Parameters (CRYSOL)

rg_guinier	21.68 Å
rg_electron	20.55 Å
i0	21955400.00
molecular_weight	37268.0 kDa
excluded_volume	47439 Å³
envelope_volume	55326 Å³
shell_volume	22334 Å³
envelope_diameter	70.5 Å
shell_rg	27.32 Å
envelope_rg	20.77 Å
shape_rg	20.54 Å
total_rg	21.49 Å
total_atoms	2614
n_residues	346
n_harmonics	20
q_range	— – 0.5000 Å⁻¹
n_points	101
shell_type	directional
solvent_density	0.3340 e/Å³
contrast_shell	0.0300 e/Å³
crysol_version	4.1.3

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3. P(r) Analysis (GNOM)

dmax	68.3 Å
rg_real	21.60 Å
rg_real_error	0.30 Å
i0_real	2.1960e+07
i0_real_error	2.4520e+05
rg_reciprocal	21.62 Å
i0_reciprocal	21960000.0000
total_estimate	0.9012
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	26.5 Å
skewness	0.248
kurtosis	-0.400
angular_range	— – 0.3650 Å⁻¹
current_alpha	0.0000
highest_alpha	4533000.0000
n_real_points	68
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.913; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.971

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	GLYCEROL-3-PHOSPHATE DEHYDROGENASE
formula_weight	39317.8 kDa
ec_number	1.1.1.8
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	2947

MSTKQHSAKDELLYLNKAVVFGSGAFGTALAMVLSKKCREVCVWHMNEEEVRLVNEKRENVLFLKGVQLASNITFTSDVEKAYNGAEIILFVIPTQFLRGFFEKSGGNLIAYAKEKQVPVLVCTKGIERSTLKFPAEIIGEFLPSPLLSVLAGPSFAIEVATGVFTCVSIASADINVARRLQRIMSTGDRSFVCWATTDTVGCEVASAVKNVLAIGSGVANGLGMGLNARAALIMRGLLEIRDLTAALGGDGSAVFGLAGLGDLQLTCSSELSRNFTVGKKLGKGLPIEEIQRTSKAVAEGVATADPLMRLAKQLKVKMPLCHQIYEIVYKKKNPRDALADLLSCGLQDEGLPPLFKRSASTPSKL

Source

organism	Leishmania mexicana
ncbi_taxonomy_id	5665
host_organism	Escherichia coli

Entity 2 non-polymer

description	PENTADECANE
formula_weight	212.4 kDa
src_method	syn
entity_count	1

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	328

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6. Citations (1)

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length_a	70.320 Å
length_b	70.320 Å
length_c	210.115 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 41 21 2
int_tables_number	92
crystal_system	—

resolution	1.750 Å
resolution_low	30.000 Å
r_factor	0.1950
r_work	0.1950
r_free	0.2570

fit	/app/data/saxs_computation/ev/1evy/1evy.fit
pddf	/app/data/pr_computation/ev/1evy/1evy.pr.out
profile	/app/data/saxs_computation/ev/1evy/1evy.dat

CRYSTAL STRUCTURE OF LEISHMANIA MEXICANA GLYCEROL-3-PHOSPHATE DEHYDROGENASE

SAXS Profile

P(r) Distribution

1. Structure Basics

Download Data

2. SAXS Parameters (CRYSOL)

3. P(r) Analysis (GNOM)

4. Crystallography & Experiment

Unit Cell

Symmetry

Refinement

Diffraction